SCHEMBL3518238

SCHEMBL3518238

Cn1cncc1C(N)(c1ccc(Cl)nc1)c1ccc2[nH]c(=O)cc(C(c3cccc(Cl)c3)C3CC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.56
FNTB P49356 15/20 0.56
PGGT1B P53609 4/20 0.42
CYP3A4 P08684 3/20 0.38
RORC P51449 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4287009 0.89 FNTA (0.56) FNTAFNTBPGGT1BCYP3A4
SCHEMBL3501050 0.81 FNTA (0.84) FNTAFNTBPGGT1BCYP3A4
SCHEMBL4278951 0.74 FNTA (0.55) FNTAFNTBPGGT1BCYP3A4RORC
SCHEMBL6173299 0.74 FNTA (0.82) FNTAFNTBPGGT1BCYP3A4
SCHEMBL4562525 0.73 FNTA (1.00) FNTAFNTBPGGT1BCYP3A4
SCHEMBL4562526 0.73 FNTA (1.00) FNTAFNTBPGGT1BCYP3A4
SCHEMBL4282437 0.73 FNTA (0.51) FNTAFNTBPGGT1BCYP3A4RORC
SCHEMBL4285788 0.72 FNTA (0.60) FNTAFNTBPGGT1BCYP3A4
SCHEMBL6172871 0.71 FNTA (0.60) FNTAFNTBPGGT1B
SCHEMBL7815392 0.71 FNTA (0.84) FNTAFNTBPGGT1BRORC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155197-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES Link Medicine Corporation (US) 2010-02-24 EP claimed
WO-2008112525-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES LINK MEDICINE CORPORATION (US) 2008-09-18 WO claimed
WO-2008137692-A1 TREATMENT OF SYNUCLEINOPATHIES LINK MEDICINE CORPORATION (US) 2008-11-13 WO disclosed